22GT

a novel GH8 family xylanase BiXyn8A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-10
Detector	MAR CCD 130 mm
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	85.600, 94.520, 103.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.008 - 1.800
R-factor	0.183776102323
Rwork	0.182
R-free	0.21344
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	AUTOMAR
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.010	10.000
High resolution limit [Å]	1.800	1.800
Number of reflections	386257	77988
<I/σ(I)>	14.88	14.88
Completeness [%]	99.0
Redundancy	4.8
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG3350, Sodium Malonate